Structures of a tetradentate ferrocenyl ligand and its oxorhenium(V) complex in solution and in the solid state

The novel ferrocenyl ligand rac-1,6-diferrocenyl-N,N'-bis(2-hydroxypropyl)-2,5-diazahexane (1, H(2)L) was synthesized from ferrocenylcarboxaldehyde and ethylenediamine followed by the reduction of the Schiff base with LiAlH(4) and subsequent N-alkylation with 1,2-propyleneoxide. The dianion of H(2)L reacted with ReO(PPh(3))(2)Cl(3)], and the product was treated with NH(4)PF(6) to afford the complex ReO(L-N(2)O(2))PPh(3)]PF(6) (2). Both the ferrocenyl ligand and the complex were characterized in solution by NMR spectroscopy and in the solid state by single-crystal X-ray diffraction studies. NMR investigations reveal two solvent-dependent isomers for the ferrocenyl ligand in solution of which the major form is the more ordered one. The cation of 2 displays a nonsymmetrically coordinated N(2)O(2) ligand.